5-(2-oxidanylidene-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-(2-oxidanylidene-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[2-oxo-5,5-bis(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-(2-oxo-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(2-oxo-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-5,5-bis(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C22H15N3O2S2 MolecularWeight: 417.5034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)(C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)(C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C22H15N3O2S2/c23-12-15-6-8-17(24-15)14-5-7-18-16(11-14)22(19-3-1-9-28-19,20-4-2-10-29-20)27-13-21(26)25-18/h1-11,24H,13H2,(H,25,26)